Sugi Predict

Sugi Predict / Compounds / SCHEMBL4812860

SCHEMBL4812860

SCHEMBL4812860

CC(C)c1ccn2nc[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.42
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK3 Q9Y616 1/20 0.33
▸ BRD4 O60885 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2445832 0.77 NR1H2 (0.39) NR1H2IRAK4BRD4
SCHEMBL24458554 0.74 NR1H2 (0.33) NR1H2BRD4
SCHEMBL4052191 0.74 PARP1 (0.39) NR1H2ROCK1CLK2CDK7CDK9
SCHEMBL18031719 0.72 NR1H2 (0.44) NR1H2ROCK1BRD4
SCHEMBL12549786 0.71 IRAK4 (0.40) IRAK4CCNT1CCNCCDK8CLK1
SCHEMBL16646839 0.70 NR1H2 (0.42) NR1H2ROCK1BRD4
SCHEMBL5606354 0.67 NR1H2 (0.64) NR1H2ROCK1
SCHEMBL16646776 0.66 NR1H2 (0.66) NR1H2
SCHEMBL20272430 0.66 IRAK4 (0.48) IRAK4CCNT1CCNCCDK8CLK1
SCHEMBL4817943 0.65 NR1H2 (0.69) NR1H2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 NR1H2 3047/4885IRAK4 496/4885ROCK1 385/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 NR1H2 3177/4885IRAK4 490/4885ROCK1 469/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 NR1H2 3047/4885IRAK4 496/4885ROCK1 385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.